CID 2765838

Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO5S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COS(=O)(=O)C
InChI
InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(6-8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
InChIKey
RXNQBVRCZIYUJK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1078
Patents

293.1297 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13698 166.3
[M+Na]+ 316.11892 171.2
[M-H]- 292.12242 167.7
[M+NH4]+ 311.16352 180.9
[M+K]+ 332.09286 170.4
[M+H-H2O]+ 276.12696 160.3
[M+HCOO]- 338.12790 176.7
[M+CH3COO]- 352.14355 196.5
[M+Na-2H]- 314.10437 167.9
[M]+ 293.12915 169.5
[M]- 293.13025 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe